1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea

C15H18N4O3 — CID 125161615

IUPAC1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(NC[C@@H]1COCCO1)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H18N4O3/c20-15(16-9-13-10-21-6-7-22-13)18-12-3-1-2-11(8-12)14-4-5-17-19-14/h1-5,8,13H,6-7,9-10H2,(H,17,19)(H2,16,18,20)/t13-/m1/s1
InChIKeyJQSQDTZJFBNQRG-CYBMUJFWSA-N
MW302.33 g/mol
LogP1.61
Rot. Bonds4

About 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea

1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 125161615) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID125161615
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(NC[C@@H]1COCCO1)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H18N4O3/c20-15(16-9-13-10-21-6-7-22-13)18-12-3-1-2-11(8-12)14-4-5-17-19-14/h1-5,8,13H,6-7,9-10H2,(H,17,19)(H2,16,18,20)/t13-/m1/s1
InChIKeyJQSQDTZJFBNQRG-CYBMUJFWSA-N
XLogP1.61
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2H-benzotriazol-5-yl)-3-[[(2S)-1,4-dioxan-2-yl]methyl]urea
CID 125157213
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea
CID 125180090
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-[4-phenyl-3-(trifluoromethyl)phenyl]urea
CID 94655499
1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 118764097
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea
CID 94652916
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
CID 125178084
4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 66335716
2-amino-2-(oxan-4-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide;hydrochloride
CID 120785975
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 94652752
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 94652754

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea (CID 125161615) is 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea is O=C(NC[C@@H]1COCCO1)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is JQSQDTZJFBNQRG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-15(16-9-13-10-21-6-7-22-13)18-12-3-1-2-11(8-12)14-4-5-17-19-14/h1-5,8,13H,6-7,9-10H2,(H,17,19)(H2,16,18,20)/t13-/m1/s1.
What are the key properties of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea?
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 302.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 125161615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).